SCHEMBL15345105

SCHEMBL15345105

Cc1ccnc(-c2cnn(C(C)(C)C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 3/20 0.37
▸ PDK2 Q15119 2/20 0.35
▸ TGFBR1 P36897 1/20 0.34
▸ ATR Q13535 2/20 0.34
▸ ATRIP Q8WXE1 2/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BRD4 O60885 2/20 0.32
▸ CREBBP Q92793 2/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ RIPK2 O43353 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FLT3 P36888 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15341866 0.81 KDM5B (0.41) KDM5BPDK2ATRATRIPIRAK4
SCHEMBL13097046 0.79 LRRK2 (0.44) IRAK4MAPTAURKB
SCHEMBL30274556 0.79 LRRK2 (0.44) IRAK4MAPTAURKB
SCHEMBL15345131 0.73 CCR1 (0.50) KDM5BPDK2TGFBR1ATRATRIP
SCHEMBL21819358 0.71 JAK2 (0.50) KDM5BTGFBR1PIM1NPC1MAPT
SCHEMBL8365585 0.71 HPGDS (0.46) TGFBR1NPC1RAB9AKMT2A
SCHEMBL16339442 0.71 EGFR (0.40) TGFBR1
SCHEMBL31186653 0.69 CYP1A1 (0.46) IRAK4KMT2A
SCHEMBL20133228 0.69 KIF11 (0.44) PDK2MAPTBRD4CREBBPEP300
SCHEMBL21818873 0.69 DYRK1A (0.44) PDK2IRAK4PIM1MAPTRIPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 — — EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 — — US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 — — US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 KDM5B 3695/4885PDK2 1160/4885TGFBR1 4545/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 KDM5B 3695/4885PDK2 1160/4885TGFBR1 4545/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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